SCHEMBL6080108

SCHEMBL6080108

COC(=O)c1cc(OCc2ccccc2)c2cc(C#CCOCc3ccccc3)cc([N+](=O)[O-])c2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CTSV O60911 3/20 0.38
CTSL P07711 3/20 0.38
CYP19A1 P11511 1/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6614590 0.91 CTSV (0.39) APPMAPTKMT2AMEN1CTSV
SCHEMBL6080661 0.90 APP (0.43) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6079883 0.89 MMP2 (0.41) MAPTSMN1; SMN2KMT2AMEN1MMP2
SCHEMBL6079222 0.87 APP (0.41) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6080214 0.87 APP (0.43) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6080358 0.86 CYP11B1 (0.43) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6080282 0.83 CTSV (0.39) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6079326 0.82 APP (0.45) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6079319 0.82 APP (0.45) APPMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL6595150 0.81 CTSV (0.42) APPMAPTKMT2AMEN1CTSV

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL APP 442/4885MAPT 1575/4885SMN1; SMN2 2666/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.